1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(4-propan-2-ylbenzoyl)imidazolidin-2-one

C34H36ClFN4O2 — CID 19927627

About 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(4-propan-2-ylbenzoyl)imidazolidin-2-one

1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(4-propan-2-ylbenzoyl)imidazolidin-2-one (PubChem CID 19927627) has the molecular formula C34H36ClFN4O2 and a molecular weight of 587.14 g/mol. Its IUPAC name is 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(4-propan-2-ylbenzoyl)imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(4-propan-2-ylbenzoyl)imidazolidin-2-one
• PubChem CID: 19927627
• Molecular Formula: C34H36ClFN4O2
• Molecular Weight: 587.14 g/mol
• Exact Mass: 586.25
• IUPAC Name: 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(4-propan-2-ylbenzoyl)imidazolidin-2-one
• SMILES: CC(C)c1ccc(C(=O)N2CCN(CCN3CCC(c4cn(-c5ccc(F)cc5)c5ccc(Cl)cc45)CC3)C2=O)cc1
• InChI: InChI=1S/C34H36ClFN4O2/c1-23(2)24-3-5-26(6-4-24)33(41)39-20-19-38(34(39)42)18-17-37-15-13-25(14-16-37)31-22-40(29-10-8-28(36)9-11-29)32-12-7-27(35)21-30(31)32/h3-12,21-23,25H,13-20H2,1-2H3
• InChIKey: FFJQCJUMFRQNOA-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 48.79 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.14
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(4-propan-2-ylbenzoyl)imidazolidin-2-one?

The IUPAC name of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(4-propan-2-ylbenzoyl)imidazolidin-2-one (CID 19927627) is 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(4-propan-2-ylbenzoyl)imidazolidin-2-one.

What is the SMILES notation for 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(4-propan-2-ylbenzoyl)imidazolidin-2-one?

The canonical SMILES for 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(4-propan-2-ylbenzoyl)imidazolidin-2-one is CC(C)c1ccc(C(=O)N2CCN(CCN3CCC(c4cn(-c5ccc(F)cc5)c5ccc(Cl)cc45)CC3)C2=O)cc1.

What is the InChIKey of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(4-propan-2-ylbenzoyl)imidazolidin-2-one?

The InChIKey is FFJQCJUMFRQNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36ClFN4O2/c1-23(2)24-3-5-26(6-4-24)33(41)39-20-19-38(34(39)42)18-17-37-15-13-25(14-16-37)31-22-40(29-10-8-28(36)9-11-29)32-12-7-27(35)21-30(31)32/h3-12,21-23,25H,13-20H2,1-2H3.

What are the key properties of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(4-propan-2-ylbenzoyl)imidazolidin-2-one?

1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(4-propan-2-ylbenzoyl)imidazolidin-2-one has a molecular weight of 587.14 g/mol, XLogP of 7.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(4-propan-2-ylbenzoyl)imidazolidin-2-one is sourced from PubChem (CID 19927627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).